CID 19167

Asomate

Structural Information

Molecular Formula
C9H18AsN3S6
SMILES
CN(C)C(=S)S[As](SC(=S)N(C)C)SC(=S)N(C)C
InChI
InChI=1S/C9H18AsN3S6/c1-11(2)7(14)17-10(18-8(15)12(3)4)19-9(16)13(5)6/h1-6H3
InChIKey
GAMFEMAXLMWCRG-UHFFFAOYSA-N
Compound name
bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1602
Patents

434.90408 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.91136 201.6
[M+Na]+ 457.89330 200.8
[M-H]- 433.89680 196.7
[M+NH4]+ 452.93790 209.3
[M+K]+ 473.86724 188.0
[M+H-H2O]+ 417.90134 190.5
[M+HCOO]- 479.90228 184.7
[M+CH3COO]- 493.91793 230.3
[M+Na-2H]- 455.87875 198.8
[M]+ 434.90353 191.2
[M]- 434.90463 191.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe